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Molecular Formula: C71H91N21O41
Molecular weight: 1894.59834
InChi: InChI=1S/C71H91N21O41/c1-15-16-106-51-44-37(17-79-86-72)120-65(58(51)113-30(8)99)128-45-38(18-80-87-73)122-67(60(115-32(10)101)52(45)107-24(2)93)130-47-40(20-82-89-75)124-69(62(117-34(12)103)54(47)109-26(4)95)132-49-42(22-84-91-77)126-71(64(119-36(14)105)56(49)111-28(6)97)133-50-43(23-85-92-78)125-70(63(118-35(13)104)57(50)112-29(7)98)131-48-41(21-83-90-76)123-68(61(116-33(11)102)55(48)110-27(5)96)129-46-39(19-81-88-74)121-66(127-44)59(114-31(9)100)53(46)108-25(3)94/h1,37-71H,16-23H2,2-14H3/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1
InChi Key: VTGKTWUJLHLJAM-JVQBNIDXSA-N
SMILES: [C@H]12[C@@H]([C@H]([C@H](O[C@@H]1CN=N#N)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CN=N#N)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CN=N#N)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5CN=N#N)OC(=O)C)OC(=O)C)O[C@@H]4CN=N#N)OC(=O)C)OC(=O)C)O[C@@H]3CN=N#N)OC(=O)C)OC(=O)C)O[C@@H]1CN=N#N)OC(=O)C)OCC#C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Chemical Name
per-O-acetyl-per-6-azido-per-6-deoxy-3I-O-propargyl-β-cyclodextrin
External Links
PubChem